2-Chloro-1,1,1,3,3,3-hexafluoropropane
0d7977a5-6556-11dd-ad8b-0800200c9a66
Identity
- Substance
- fo-73e1fc7175c5aaa5 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Long-term
- CAS
- 431-87-8
- EC
- 207-078-7
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Long-term
Alternative labels
6- HCFC-226
- 1,1,1,3,3,3-Hexafluoro-2-chloropropane
- 2-Chloro-2-hydroperfluoropropane
- CFC 226da
- HCFC 226da
- Propane, 2-chloro-1,1,1,3,3,3-hexafluoro-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 0d7977a5-6556-11dd-ad8b-0800200c9a66 | 2-Chloro-1,1,1,3,3,3-hexafluoropropane | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 0d7977a5-6556-11dd-ad8b-0800200c9a66 | 2-Chloro-1,1,1,3,3,3-hexafluoropropane | Emissions/Emissions to water/Emissions to water, unspecified (long-term) | exactMatch | — |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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